SCHEMBL219830

SCHEMBL219830

CC(=O)c1cc(Cl)cc2c1OCC2

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.50
PARP1 P09874 2/20 0.47
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PTGES O14684 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5032923 0.85 PARP1 (0.49) HTR3APARP1KDM4EALDH1A1LMNA
SCHEMBL30094449 0.85 HTR3A (0.51) HTR3APARP1
SCHEMBL4387990 0.85 HTR3A (0.51) HTR3APARP1
SCHEMBL8364696 0.83 HTR3A (0.50) HTR3APARP1KDM4EALDH1A1
SCHEMBL13294905 0.80 PARP1 (0.51) HTR3APARP1KDM4EALDH1A1LMNA
SCHEMBL1748557 0.78 KMT2A (0.46) KDM4EALDH1A1LMNAHSD17B10MEN1
SCHEMBL7335337 0.75 HTR3A (0.43) HTR3APARP1KDM4EALDH1A1HSD17B10
SCHEMBL9868892 0.75 HTR3A (0.43) HTR3APARP1
SCHEMBL14702595 0.75 PKM (0.40) NPSR1
SCHEMBL8545255 0.75 PARP1 (0.43) PARP1KDM4EALDH1A1LMNAHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088817-B2 Pyrrole derivative having, as substituents, ureido group, aminocarbonly group and bicyclic group which may have substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-01-03 US disclosed
US-8088817-B2 Pyrrole derivative having, as substituents, ureido group, aminocarbonly group and bicyclic group which may have substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-01-03 US disclosed
US-8088817-B2 Pyrrole derivative having, as substituents, ureido group, aminocarbonly group and bicyclic group which may have substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-01-03 US disclosed
CN-102131774-A Novel pyrrole derivative having, as substituents, ureide group, aminocarbonyl group and bicyclic group which may have substituent SANTEN PHARMACEUTICAL CO LTD 2011-07-20 CN disclosed
US-20110136794-A1 NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDO GROUP, AMINOCARBONLY GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-06-09 US disclosed
US-20110136794-A1 NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDO GROUP, AMINOCARBONLY GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-06-09 US disclosed
US-20110136794-A1 NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDO GROUP, AMINOCARBONLY GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-06-09 US disclosed
EP-2319831-A1 NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDE GROUP, AMINOCARBONYL GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT Santen Pharmaceutical Co., Ltd (JP) 2011-05-11 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110136794-A1 NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDO GROUP, AMINOCARBONLY GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT IL6, IL6ST, UACA HTR3A 1592/4885PARP1 2571/4885KDM4E 1519/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.